SCHEMBL17031963

SCHEMBL17031963

CC(=O)c1ccc(CN[C@H](C)c2ccccc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
ADRB2 P07550 2/20 0.44
LMNA P02545 3/20 0.44
ADRB1 P08588 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15637982 0.89 POLB (0.52) POLBADRB2ADRB1KMT2AALDH1A1
SCHEMBL17024594 0.86 CA1 (0.48) POLBADRB2LMNAADRB1KMT2A
SCHEMBL17024591 0.86 CA1 (0.48) POLBADRB2LMNAADRB1KMT2A
SCHEMBL17031938 0.83 HIF1A (0.50) POLBADRB2LMNAMAOBKMT2A
SCHEMBL5270694 0.81 SMN1; SMN2 (0.59) POLBADRB2LMNAADRB1KMT2A
SCHEMBL5270789 0.81 POLB (0.51) POLBADRB2ADRB1KMT2AMEN1
SCHEMBL5270951 0.80 POLB (0.54) POLBADRB2LMNAADRB1MAPT
SCHEMBL17031969 0.78 POLB (0.43) POLBADRB2LMNAMAOAMAOB
SCHEMBL5269060 0.77 CASR (0.56) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5273696 0.76 POLB (0.50) POLBADRB2ADRB1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603889-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US disclosed
US-20150238558-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150238558-A1 IAP ANTAGONISTS XIAP, BIRC5, API5 POLB 3811/4885ADRB2 3725/4885LMNA 787/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.